S Naserian, M Izadyar, E Ranjbakhsh - Journal of Photochemistry and …, 2023 - Elsevier
Density functional theory calculations were performed to calculate the structural, electronic, physical, and hole/electron charge transport properties of three possible pathways of …
The crystal structure, charge transport and optoelectronic properties of newly designed air- stable halogenated diindenotetracene (DIT) based OSCs are reported in this article. The …
T Kuamit, V Parasuk - Chemical Physics Letters, 2022 - Elsevier
We investigated the curving of three different sizes of graphene quantum dots (GQDs), C 24 H 12, C 54 H 18, and C 96 H 24, by vertical external electric fields from− 0.035 to 0.035 …
Multi-arylated heteroarenes and bi-phenyls are important motifs in a number of industries, such as organic semi-conductors and medicinal chemistry. Biphenyls are classically …
S Dey, S Sasmal, S Mondal, S Kumar… - … Section B: Structural …, 2023 - journals.iucr.org
Amongst the derivatives of 4-biphenylcarboxylic acid and amino acid esters, the crystal structure of 4-biphenylcarboxy-(l)-phenylalaninate is unusual owing to its monoclinic …
Abstract We used Density Functional Theory (DFT) to calculate the optoelectronic and angular resolution anisotropic charge mobility of the phenanthrene derivatives viz …